3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide

C14H10Cl3FN2O — CID 60861863

IUPAC3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1c(N)cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1F
InChIInChI=1S/C14H10Cl3FN2O/c1-6-11(18)2-7(3-12(6)19)14(21)20-13-9(16)4-8(15)5-10(13)17/h2-5H,19H2,1H3,(H,20,21)
InChIKeyUIOXMIKTYCIVPF-UHFFFAOYSA-N
MW347.60 g/mol
LogP4.93
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide

3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide (PubChem CID 60861863) has the molecular formula C14H10Cl3FN2O and a molecular weight of 347.60 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
PubChem CID60861863
Molecular FormulaC14H10Cl3FN2O
Molecular Weight347.60 g/mol
Exact Mass345.98
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide
SMILESCc1c(N)cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1F
InChIInChI=1S/C14H10Cl3FN2O/c1-6-11(18)2-7(3-12(6)19)14(21)20-13-9(16)4-8(15)5-10(13)17/h2-5H,19H2,1H3,(H,20,21)
InChIKeyUIOXMIKTYCIVPF-UHFFFAOYSA-N
XLogP4.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-4-methylbenzamide
CID 107608760
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 60862529
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60862528
3-amino-N-(2,6-dichloro-4-fluorophenyl)-4-fluorobenzamide
CID 83076280
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-N-(2,3-difluorophenyl)-5-fluoro-4-methylbenzamide
CID 61076065
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
CID 60861516

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide (CID 60861863) is 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide is Cc1c(N)cc(C(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide?
The InChIKey is UIOXMIKTYCIVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FN2O/c1-6-11(18)2-7(3-12(6)19)14(21)20-13-9(16)4-8(15)5-10(13)17/h2-5H,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide?
3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide has a molecular weight of 347.60 g/mol, XLogP of 4.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(2,4,6-trichlorophenyl)benzamide is sourced from PubChem (CID 60861863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).